N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine

C16H22FN3 — CID 62489855

IUPACN-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C16H22FN3/c1-11(2)15-7-8-20(19-15)16-6-5-14(17)9-13(16)10-18-12(3)4/h5-9,11-12,18H,10H2,1-4H3
InChIKeyFYHVKUWPSCRMBC-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.63
Rot. Bonds5

About N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 62489855) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID62489855
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C16H22FN3/c1-11(2)15-7-8-20(19-15)16-6-5-14(17)9-13(16)10-18-12(3)4/h5-9,11-12,18H,10H2,1-4H3
InChIKeyFYHVKUWPSCRMBC-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine (CID 62489855) is N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)ccc1-n1ccc(C(C)C)n1.
What is the InChIKey of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is FYHVKUWPSCRMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11(2)15-7-8-20(19-15)16-6-5-14(17)9-13(16)10-18-12(3)4/h5-9,11-12,18H,10H2,1-4H3.
What are the key properties of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62489855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).